ethyl 2-(3-butyl-6-chloranyl-benzimidazol-3-ium-1-yl)ethanoate

Systemtic Name: ethyl 2-(3-butyl-6-chloranyl-benzimidazol-3-ium-1-yl)ethanoate Openeye Name: ethyl 2-(3-butyl-6-chloro-benzimidazol-3-ium-1-yl)acetate CAS Name: 2-(3-butyl-6-chloro-1-benzimidazol-3-iumyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(3-butyl-6-chlorobenzimidazol-3-ium-1-yl)acetate Traditional Name: 2-(3-butyl-6-chloro-benzimidazol-3-ium-1-yl)acetic acid ethyl ester Formula: C15H20ClN2O2+ MolecularWeight: 295.7845

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CN(C2=C1C=CC(=C2)Cl)CC(=O)OCC

Isomeric SMILES

CCCC[N+]1=CN(C2=C1C=CC(=C2)Cl)CC(=O)OCC

InChI

InChI=1S/C15H20ClN2O2/c1-3-5-8-17-11-18(10-15(19)20-4-2)14-9-12(16)6-7-13(14)17/h6-7,9,11H,3-5,8,10H2,1-2H3/q+1